N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide

C19H27FN2O3S — CID 50938173

IUPACN-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H27FN2O3S/c1-19(2,3)18(23)21-14-11-15-7-5-8-16(12-14)22(15)26(24,25)17-9-4-6-13(20)10-17/h4,6,9-10,14-16H,5,7-8,11-12H2,1-3H3,(H,21,23)/t15-,16-/m0/s1
InChIKeyYQCKUQZGRQIWMB-HOTGVXAUSA-N
MW382.50 g/mol
LogP3.06
Rot. Bonds3

About N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide

N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide (PubChem CID 50938173) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide
PubChem CID50938173
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC NameN-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H27FN2O3S/c1-19(2,3)18(23)21-14-11-15-7-5-8-16(12-14)22(15)26(24,25)17-9-4-6-13(20)10-17/h4,6,9-10,14-16H,5,7-8,11-12H2,1-3H3,(H,21,23)/t15-,16-/m0/s1
InChIKeyYQCKUQZGRQIWMB-HOTGVXAUSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide
CID 3218384
(1R,5R)-3-(2,2-dimethylpropanoylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110472
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 47304951
N-[(1R,5R)-9-[(4-fluorophenyl)carbamothioyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide
CID 50938169
N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 35398779
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
CID 50903491
2,2-dimethyl-N-[(1R,5R)-9-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]propanamide
CID 98111261
methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409871
N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
4-fluoro-N-[8-(5-fluoro-2-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 156610393
N-[8-(2,3-dihydro-1H-inden-5-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 156610189
N-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 55538744

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide (CID 50938173) is N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide?
The InChIKey is YQCKUQZGRQIWMB-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c1-19(2,3)18(23)21-14-11-15-7-5-8-16(12-14)22(15)26(24,25)17-9-4-6-13(20)10-17/h4,6,9-10,14-16H,5,7-8,11-12H2,1-3H3,(H,21,23)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide?
N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide has a molecular weight of 382.50 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S)-9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 50938173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).